| Properties | Molecules / Scaffolds(Murcko) | Ratio of Scaffolds
(< 5 molecules) |
Cloud Grams | Download (CSV) |
|---|---|---|---|---|
| LogS | 3.585 | 0.935 | Under Wraps | |
| LogD7.4 | 1.832 | 0.948 | Under Wraps | |
| LogP | 4.948 | 0.89 | Under Wraps | |
| Caco-2 Permeability | 1.604 | 0.972 | Under Wraps | |
| MDCK Permeability | 1.626 | 0.973 | Under Wraps | |
| Pgp-inhibitor | 1.572 | 0.977 | Under Wraps | |
| pgp-substrate | 1.208 | 0.991 | Under Wraps | |
| HIA | 1.443 | 0.989 | Under Wraps | |
| F20% | 1.391 | 0.989 | Under Wraps | |
| F30% | 1.362 | 0.993 | Under Wraps | |
| PPB | 1.573 | 0.975 | Under Wraps | |
| VD | 1.399 | 0.992 | Under Wraps | |
| BBB Penetration | 1.601 | 0.973 | Under Wraps | |
| Fu | 1.494 | 0.983 | Under Wraps | |
| CYP1A2 inhibitor | 1.539 | 0.977 | Under Wraps | |
| CYP1A2 substrate | 1.298 | 0.995 | Under Wraps | |
| CYP2C19 inhibitor | 1.567 | 0.976 | Under Wraps | |
| CYP2C19 substrate | 1.319 | 0.993 | Under Wraps | |
| CYP2C9 inhibitor | 1.565 | 0.976 | Under Wraps | |
| CYP2C9 substrate | 1.488 | 0.981 | Under Wraps | |
| CYP2D6 inhibitor | 1.563 | 0.977 | Under Wraps | |
| CYP2D6 substrate | 1.508 | 0.987 | Under Wraps | |
| CYP3A4 inhibitor | 1.548 | 0.977 | Under Wraps | |
| CYP3A4 substrate | 1.355 | 0.993 | Under Wraps | |
| CL | 1.346 | 0.992 | Under Wraps | |
| T1/2 | 1.335 | 0.993 | Under Wraps | |
| hERG Blockers | 1.332 | 0.988 | Under Wraps | |
| H-HT | 1.607 | 0.981 | Under Wraps | |
| DILI | 1.379 | 0.992 | Under Wraps | |
| AMES Toxicity | 3.304 | 0.923 | Under Wraps | |
| Rat Oral Acute Toxicity | 3.039 | 0.943 | Under Wraps | |
| FDAMDD | 1.654 | 0.978 | Under Wraps | |
| Skin Sensitization | 2.084 | 0.991 | Under Wraps | |
| Carcinogencity | 1.982 | 0.967 | Under Wraps | |
| Eye Corrosion | 1.955 | 0.972 | Under Wraps | |
| Eye Irritation | 3.399 | 0.946 | Under Wraps | |
| Respiratory Toxicity | 1.967 | 0.957 | Under Wraps | |
| Bioconcentration Factor | 3.343 | 0.925 | Under Wraps | |
| IGC50 | 10.476 | 0.878 | Under Wraps | |
| LC50FM | 3.585 | 0.941 | Under Wraps | |
| LC50DM | 2.579 | 0.974 | Under Wraps | |
| NR-AR | 2.414 | 0.962 | Under Wraps | |
| NR-AR-LBD | 2.461 | 0.958 | Under Wraps | |
| NR-AhR | 2.36 | 0.962 | Under Wraps | |
| NR-Aromatase | 2.397 | 0.964 | Under Wraps | |
| NR-ER | 2.41 | 0.959 | Under Wraps | |
| NR-ER-LBD | 2.427 | 0.957 | Under Wraps | |
| NR-PPAR-gamma | 2.466 | 0.959 | Under Wraps | |
| SR-ARE | 2.535 | 0.957 | Under Wraps | |
| SR-ATAD5 | 2.409 | 0.96 | Under Wraps | |
| SR-HSE | 2.46 | 0.96 | Download | |
| SR-MMP | 2.408 | 0.96 | Download | |
| SR-p53 | 2.443 | 0.96 | Download |